@MOLECULE (3R)-3-isopentyl-2,2-dimethyl-oxirane 28 28 0 0 0 SMALL USER_CHARGES @ATOM 1 C -2.7570 0.1061 -0.2669 C.3 1 UNL11111111 -0.0552 2 C -3.9542 -0.8338 -0.0705 C.3 1 UNL11111111 -0.4570 3 C -2.9943 1.4126 0.5000 C.3 1 UNL11111111 -0.4542 4 C -1.4703 -0.5931 0.2119 C.3 1 UNL11111111 -0.2836 5 C -0.2138 0.1464 -0.2636 C.3 1 UNL11111111 -0.2982 6 C 1.0371 -0.5429 0.2178 C.3 1 UNL11111111 -0.0108 7 H 0.8886 -1.2923 1.0013 H 1 UNL11111111 0.1484 8 O 1.9501 -0.9615 -0.8056 O.3 1 UNL11111111 -0.3794 9 C 2.3895 0.0889 0.0641 C.3 1 UNL11111111 0.1928 10 C 2.5438 1.4357 -0.5859 C.3 1 UNL11111111 -0.4677 11 C 3.4914 -0.3021 1.0112 C.3 1 UNL11111111 -0.4711 12 H -2.6579 0.3385 -1.3544 H 1 UNL11111111 0.1307 13 H -4.8886 -0.3565 -0.3837 H 1 UNL11111111 0.1421 14 H -3.8421 -1.7518 -0.6572 H 1 UNL11111111 0.1439 15 H -4.0690 -1.1226 0.9797 H 1 UNL11111111 0.1438 16 H -3.1243 1.2292 1.5717 H 1 UNL11111111 0.1437 17 H -2.1559 2.1070 0.3841 H 1 UNL11111111 0.1411 18 H -3.8947 1.9230 0.1421 H 1 UNL11111111 0.1406 19 H -1.4753 -0.6719 1.3144 H 1 UNL11111111 0.1386 20 H -1.4499 -1.6336 -0.1677 H 1 UNL11111111 0.1446 21 H -0.2062 0.2047 -1.3728 H 1 UNL11111111 0.1614 22 H -0.2297 1.1954 0.0931 H 1 UNL11111111 0.1486 23 H 1.9542 1.5063 -1.5116 H 1 UNL11111111 0.1657 24 H 2.2176 2.2408 0.0843 H 1 UNL11111111 0.1549 25 H 3.5872 1.6346 -0.8640 H 1 UNL11111111 0.1583 26 H 4.4758 -0.2332 0.5284 H 1 UNL11111111 0.1605 27 H 3.5030 0.3466 1.8955 H 1 UNL11111111 0.1558 28 H 3.3846 -1.3402 1.3560 H 1 UNL11111111 0.1619 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 6 8 1 8 8 9 1 9 6 9 1 10 9 10 1 11 9 11 1 12 1 12 1 13 2 13 1 14 2 14 1 15 2 15 1 16 3 16 1 17 3 17 1 18 3 18 1 19 4 19 1 20 4 20 1 21 5 21 1 22 5 22 1 23 10 23 1 24 10 24 1 25 10 25 1 26 11 26 1 27 11 27 1 28 11 28 1